Dy3Y8Th3
Alexandria ALEXAlex-ID: agm005690861 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_31_spg71
Y2Th Dy5Y DyY5
2023-06-29 12:08:32.524897
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690861).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005690861
data_agm005690861
_cell_length_a 5.67925
_cell_length_b 9.65371
_cell_length_c 9.65371
_cell_angle_alpha 102.46211
_cell_angle_beta 72.90359
_cell_angle_gamma 72.90358
_cell_volume 456.30718
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Dy2 Dy 0.80815 0.19159 0.19159 1.00000
Dy3 Dy 0.19185 0.80841 0.80841 1.00000
Y1 Y 0.65817 0.11930 0.56428 1.00000
Y2 Y 0.34183 0.88070 0.43572 1.00000
Y3 Y 0.65817 0.56428 0.11930 1.00000
Y4 Y 0.34183 0.43572 0.88070 1.00000
Y5 Y 0.83958 0.76328 0.55786 1.00000
Y6 Y 0.16042 0.23672 0.44214 1.00000
Y7 Y 0.83958 0.55786 0.76328 1.00000
Y8 Y 0.16042 0.44214 0.23672 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 1.00000 0.81603 0.18397 1.00000
Th3 Th 0.00000 0.18397 0.81603 1.00000
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